Compounds

Type:
---

AlogP:
3.88

Polar Surface Area:
80.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5204313

Name:
10-(Pyridin-4-ylethynyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine

Mol. Formula:
C21H15N5

M.W.:
337.39

Type:
---

AlogP:
3.10

Polar Surface Area:
80.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5203403

Name:
12-((1-Methyl-1H-imidazol-5-yl)ethynyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5Show More⌵

Mol. Formula:
C22H20N6

M.W.:
368.44

Type:
---

AlogP:
3.22

Polar Surface Area:
85.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5198944

Name:
11-(3-Methoxy-3-methylbut-1-yn-1-yl)-5,6,7,8-tetrahydropyrimido[4',5':3,4]cShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
---

AlogP:
3.58

Polar Surface Area:
76.82

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5194935

Name:
5-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]lndol-11-yShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
---

AlogP:
3.01

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5194568

Name:
4-(2-Amino-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-10-yl)-2-methylbut-3-yn-2Show More⌵

Mol. Formula:
C19H18N4O

M.W.:
318.38

Type:
---

AlogP:
2.43

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5194053

Name:
10-(Cyclopropylethynyl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine

Mol. Formula:
C19H16N4

M.W.:
300.37

Type:
---

AlogP:
3.07

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5193848

Name:
1-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
---

AlogP:
3.31

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5191449

Name:
4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
---

AlogP:
2.97

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5190455

Name:
12-(3-(Dimethylamino)prop-1-yn-l-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3Show More⌵

Mol. Formula:
C21H23N5

M.W.:
345.45

Type:
---

AlogP:
3.00

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5190153

Name:
1-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yShow More⌵

Mol. Formula:
C21H22N4O

M.W.:
346.43

Type:
---

AlogP:
3.06

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5187698

Name:
10-(3-(Dimethylamino)prop-1-yn-1-yl)-6,7-dihydro-5H-pyrimido[5,4-c]carbazolShow More⌵

Mol. Formula:
C19H19N5

M.W.:
317.40

Type:
---

AlogP:
2.22

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5185288

Name:
4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yShow More⌵

Mol. Formula:
C17H18N4O

M.W.:
294.36

Type:
---

AlogP:
2.23

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5184182

Name:
N-(4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta-[1,2-b]indol-Show More⌵

Mol. Formula:
C19H23N5O2S

M.W.:
385.49

Type:
---

AlogP:
2.48

Polar Surface Area:
113.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5181163

Name:
4-(3-(2-Aminopyrimidin-4-yl)-1H-indol-5-yl)-2-methylbut-3-yn-2-ol

Mol. Formula:
C17H16N4O

M.W.:
292.34

6 activity values

3 unique targets

Type:
---

AlogP:
2.33

Polar Surface Area:
87.82

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5180067

Name:
12-(4-Fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4',5':3,4]-cycloocta[4,2Show More⌵

Mol. Formula:
C22H19FN4

M.W.:
358.42

Type:
---

AlogP:
4.89

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5177428

Name:
N-(4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta-[1,2-b]indol-Show More⌵

Mol. Formula:
C20H23N5O

M.W.:
349.44

Type:
---

AlogP:
3.07

Polar Surface Area:
96.69

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5171359

Name:
4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yShow More⌵

Mol. Formula:
C17H18N4O

M.W.:
294.36